Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19306457 | 0.86 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL7552891 | 0.83 | CYP2A6 (0.61) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL8904555 | 0.83 | CHRM2 (0.48) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL9627390 | 0.82 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL493020 | 0.81 | CYP1A2 (0.56) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL28856610 | 0.80 | L3MBTL1 (0.60) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL13610217 | 0.80 | L3MBTL1 (0.60) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL27794086 | 0.79 | CYP1A2 (0.54) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL7547915 | 0.79 | CHRNA7 (0.58) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL2566288 | 0.79 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1212301-A1 | ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS | Targacept, Inc. (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001016107-A1 | ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2001-03-08 | — | — | WO | disclosed |